Chlorine in PDB 6ivk: Crystal Structure of A Membrane Protein G175A

Protein crystallography data

The structure of Crystal Structure of A Membrane Protein G175A, PDB code: 6ivk was solved by A.Kittredge, F.Fukuda, Y.Zhang, T.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.64 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 113.548, 159.424, 161.476, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 24.1

Other elements in 6ivk:

The structure of Crystal Structure of A Membrane Protein G175A also contains other interesting chemical elements:

Zinc (Zn) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Membrane Protein G175A (pdb code 6ivk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of A Membrane Protein G175A, PDB code: 6ivk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 6ivk

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Chlorine binding site 1 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:62.6
occ:1.00
ZN A:ZN301 2.2 58.9 1.0
OE2 A:GLU191 3.1 71.6 1.0
CG2 A:THR95 3.2 39.5 1.0
OG1 A:THR95 3.3 47.2 1.0
CE A:LYS188 3.4 62.4 1.0
NE2 E:HIS194 3.4 42.1 1.0
CD A:LYS188 3.5 55.5 1.0
O A:HOH418 3.6 55.1 1.0
NZ A:LYS188 3.6 74.3 1.0
CB E:ASP190 3.8 50.6 1.0
CB A:THR95 3.8 40.9 1.0
CD2 E:HIS194 3.8 37.8 1.0
CG E:ASP190 3.9 68.3 1.0
CD A:GLU191 4.2 62.0 1.0
CG2 A:ILE91 4.2 32.6 1.0
OD1 E:ASP190 4.2 70.1 1.0
CA A:ALA92 4.3 40.3 1.0
OD2 E:ASP190 4.3 72.9 1.0
CA E:ASP190 4.4 45.2 1.0
CE1 E:HIS194 4.5 42.7 1.0
OE1 A:GLU191 4.5 60.5 1.0
O E:ASP190 4.5 46.0 1.0
O A:ILE91 4.5 43.8 1.0
CG A:LYS188 4.7 52.7 1.0
N A:ALA92 4.7 38.4 1.0
C A:ILE91 4.8 41.3 1.0
CB A:ALA92 4.9 42.2 1.0
C E:ASP190 4.9 47.7 1.0
CB E:ALA193 4.9 36.6 1.0

Chlorine binding site 2 out of 10 in 6ivk

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Chlorine binding site 2 out of 10 in the Crystal Structure of A Membrane Protein G175A


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:74.0
occ:1.00
ZN A:ZN303 2.3 63.9 1.0
ND1 A:HIS108 3.4 80.0 1.0
CL A:CL310 3.4 71.0 1.0
CB A:HIS108 3.5 66.0 1.0
CB A:HIS111 3.7 56.5 1.0
ND1 A:HIS111 3.8 49.2 1.0
O A:HIS108 3.8 68.7 1.0
CA A:HIS108 3.9 66.8 1.0
NH1 A:ARG112 3.9 0.1 1.0
CB A:THR287 3.9 74.8 1.0
CG A:HIS108 3.9 74.3 1.0
O A:THR287 4.0 83.5 1.0
CG2 A:THR287 4.1 59.8 1.0
CG A:ARG112 4.2 80.9 1.0
CG A:HIS111 4.3 56.4 1.0
C A:HIS108 4.3 67.3 1.0
O A:ACY306 4.6 0.4 1.0
CA A:THR287 4.6 74.3 1.0
CE1 A:HIS108 4.6 77.4 1.0
C A:THR287 4.7 83.4 1.0
CZ A:ARG112 4.8 99.8 1.0
OXT A:ACY306 4.8 0.3 1.0
CD A:ARG112 4.9 94.7 1.0
N A:ARG112 4.9 64.0 1.0
C A:ACY306 4.9 0.6 1.0
OG1 A:THR287 5.0 71.4 1.0

Chlorine binding site 3 out of 10 in 6ivk

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Chlorine binding site 3 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:71.0
occ:1.00
ZN A:ZN303 2.1 63.9 1.0
ND1 A:HIS111 3.3 49.2 1.0
ND1 A:HIS108 3.3 80.0 1.0
CL A:CL309 3.4 74.0 1.0
NE A:ARG101 3.6 74.0 1.0
CE1 A:HIS108 3.7 77.4 1.0
CD A:ARG101 3.8 68.5 1.0
CE1 A:HIS111 3.8 53.6 1.0
CZ A:ARG101 3.9 72.6 1.0
CG A:ARG101 3.9 64.5 1.0
NH2 A:ARG101 4.1 78.9 1.0
CG2 A:THR287 4.1 59.8 1.0
CA A:THR287 4.2 74.3 1.0
O A:ACY306 4.4 0.4 1.0
CB A:THR287 4.4 74.8 1.0
O A:MET286 4.4 71.9 1.0
CG A:HIS111 4.5 56.4 1.0
NH1 A:ARG101 4.6 80.8 1.0
O A:THR287 4.6 83.5 1.0
CG A:HIS108 4.6 74.3 1.0
C A:THR287 4.7 83.4 1.0
CB A:HIS111 4.9 56.5 1.0
NE2 A:HIS108 5.0 83.1 1.0

Chlorine binding site 4 out of 10 in 6ivk

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Chlorine binding site 4 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:81.2
occ:1.00
ZN A:ZN302 2.0 69.8 1.0
NE2 A:HIS194 3.3 43.6 1.0
CE B:LYS188 3.3 59.0 1.0
OE1 B:GLU191 3.3 66.5 1.0
OG1 B:THR95 3.4 44.3 1.0
CD B:LYS188 3.5 51.6 1.0
OD2 A:ASP190 3.5 89.0 1.0
CG2 B:THR95 3.5 42.8 1.0
CG A:ASP190 3.6 72.8 1.0
CD2 A:HIS194 3.8 37.5 1.0
CB A:ASP190 3.8 51.6 1.0
O A:HOH423 4.0 53.4 1.0
CB B:THR95 4.1 43.2 1.0
CG2 B:ILE91 4.1 32.3 1.0
NZ B:LYS188 4.2 74.5 1.0
OD1 A:ASP190 4.2 93.0 1.0
CD B:GLU191 4.2 69.2 1.0
CE1 A:HIS194 4.3 43.5 1.0
OE2 B:GLU191 4.4 74.0 1.0
CA B:ALA92 4.5 36.2 1.0
CA A:ASP190 4.5 46.7 1.0
O A:ASP190 4.5 44.5 1.0
O B:ILE91 4.7 41.8 1.0
N B:ALA92 4.9 34.6 1.0
C B:ILE91 4.9 38.4 1.0
C A:ASP190 4.9 47.6 1.0
CG B:LYS188 5.0 46.2 1.0

Chlorine binding site 5 out of 10 in 6ivk

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Chlorine binding site 5 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl305

b:84.8
occ:1.00
ZN C:ZN302 2.0 74.2 1.0
OD1 C:ASP190 2.5 86.7 1.0
OE1 E:GLU191 2.6 63.4 1.0
NE2 C:HIS194 3.2 43.7 1.0
CE E:LYS188 3.3 60.6 1.0
CG C:ASP190 3.4 71.7 1.0
CD E:LYS188 3.4 49.8 1.0
OD2 C:ASP190 3.6 82.4 1.0
OG1 E:THR95 3.6 57.0 1.0
CG2 E:THR95 3.7 42.3 1.0
CD E:GLU191 3.8 61.8 1.0
CD2 C:HIS194 3.8 39.7 1.0
CG2 E:ILE91 4.0 33.3 1.0
O C:HOH415 4.0 58.8 1.0
CA E:ALA92 4.1 37.9 1.0
CE1 C:HIS194 4.3 41.4 1.0
CB E:THR95 4.3 43.1 1.0
NZ E:LYS188 4.5 66.6 1.0
OE2 E:GLU191 4.5 73.6 1.0
N E:ALA92 4.5 37.8 1.0
O E:ILE91 4.6 40.4 1.0
C E:ILE91 4.6 43.0 1.0
CB E:ALA92 4.7 35.1 1.0
CB C:ASP190 4.7 51.7 1.0
CG E:LYS188 4.9 45.0 1.0
CG E:GLU191 4.9 47.1 1.0
O C:ASP190 4.9 47.9 1.0

Chlorine binding site 6 out of 10 in 6ivk

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Chlorine binding site 6 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl306

b:57.6
occ:1.00
ZN C:ZN301 2.2 55.7 1.0
NZ C:LYS188 3.1 71.0 1.0
O C:HOH411 3.2 50.3 1.0
NE2 D:HIS194 3.4 42.1 1.0
CG2 C:THR95 3.4 46.4 1.0
OE1 C:GLU191 3.5 62.6 1.0
OG1 C:THR95 3.5 53.7 1.0
CD C:LYS188 3.8 54.4 1.0
CD2 D:HIS194 3.8 45.5 1.0
CE C:LYS188 3.8 61.3 1.0
CB D:ASP190 3.9 55.1 1.0
CG D:ASP190 4.0 66.2 1.0
CB C:THR95 4.0 44.3 1.0
CG2 C:ILE91 4.1 33.7 1.0
CD C:GLU191 4.2 62.2 1.0
OD2 D:ASP190 4.3 70.3 1.0
OE2 C:GLU191 4.3 64.4 1.0
CA C:ALA92 4.3 41.8 1.0
OD1 D:ASP190 4.4 77.5 1.0
CA D:ASP190 4.5 48.2 1.0
CE1 D:HIS194 4.6 44.5 1.0
O D:ASP190 4.6 43.8 1.0
O C:ILE91 4.6 48.0 1.0
N C:ALA92 4.7 42.7 1.0
C C:ILE91 4.8 42.5 1.0
CB C:ALA92 4.9 36.3 1.0
C D:ASP190 4.9 47.3 1.0
CB D:ALA193 5.0 42.1 1.0

Chlorine binding site 7 out of 10 in 6ivk

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Chlorine binding site 7 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl305

b:77.0
occ:1.00
ZN D:ZN301 2.1 67.5 1.0
NZ D:LYS188 3.0 77.9 1.0
OG1 D:THR95 3.2 63.1 1.0
NE2 B:HIS194 3.3 42.7 1.0
CD D:LYS188 3.6 54.7 1.0
OE1 D:GLU191 3.6 77.0 1.0
CG2 D:THR95 3.6 50.6 1.0
O B:HOH420 3.7 57.4 1.0
CD2 B:HIS194 3.7 41.8 1.0
OE2 D:GLU191 3.7 84.5 1.0
CE D:LYS188 3.8 65.1 1.0
CG B:ASP190 3.8 84.6 1.0
CG2 D:ILE91 3.9 39.9 1.0
CB B:ASP190 3.9 60.3 1.0
CB D:THR95 4.0 49.2 1.0
CD D:GLU191 4.0 74.7 1.0
OD2 B:ASP190 4.1 0.7 1.0
OD1 B:ASP190 4.2 99.1 1.0
CA D:ALA92 4.3 47.9 1.0
CE1 B:HIS194 4.4 44.5 1.0
O D:ILE91 4.5 49.6 1.0
CA B:ASP190 4.6 51.9 1.0
O B:ASP190 4.7 48.7 1.0
C D:ILE91 4.7 43.9 1.0
N D:ALA92 4.7 45.1 1.0
CB D:ALA92 4.8 46.7 1.0
CG B:HIS194 5.0 45.4 1.0
CG D:LYS188 5.0 49.7 1.0
C B:ASP190 5.0 48.6 1.0

Chlorine binding site 8 out of 10 in 6ivk

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Chlorine binding site 8 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl306

b:79.2
occ:1.00
ZN D:ZN302 2.2 72.3 1.0
O D:HOH414 3.2 51.2 1.0
ND1 D:HIS108 3.4 0.7 1.0
CB D:HIS108 3.5 71.4 1.0
CB D:HIS111 3.7 58.8 1.0
ND1 D:HIS111 3.7 70.2 1.0
CG D:HIS108 3.8 85.8 1.0
CB D:THR287 3.9 92.8 1.0
CA D:HIS108 4.0 72.2 1.0
O D:THR287 4.1 95.7 1.0
O D:HIS108 4.1 74.1 1.0
CG2 D:THR287 4.1 85.3 1.0
CG D:HIS111 4.2 63.2 1.0
CG D:ARG112 4.4 96.0 1.0
CE1 D:HIS108 4.5 0.4 1.0
C D:HIS108 4.6 68.1 1.0
CA D:THR287 4.6 96.3 1.0
CD D:ARG112 4.6 0.3 1.0
C D:THR287 4.8 98.9 1.0
OG1 D:THR287 4.9 83.7 1.0
CE1 D:HIS111 4.9 67.9 1.0
N D:ARG112 4.9 69.9 1.0

Chlorine binding site 9 out of 10 in 6ivk

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Chlorine binding site 9 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl306

b:65.8
occ:1.00
ZN E:ZN301 2.1 55.2 1.0
CB E:HIS111 3.3 44.5 1.0
ND1 E:HIS108 3.4 64.2 1.0
ND1 E:HIS111 3.4 50.7 1.0
CB E:HIS108 3.5 50.5 1.0
O E:HIS108 3.6 61.5 1.0
CA E:HIS108 3.7 53.1 1.0
CL E:CL307 3.8 64.0 1.0
CG E:HIS111 3.8 46.1 1.0
CB E:THR287 3.8 50.8 1.0
O E:THR287 3.8 60.0 1.0
CG E:HIS108 3.9 57.2 1.0
CG E:ARG112 4.0 75.1 1.0
C E:HIS108 4.1 53.6 1.0
CG2 E:THR287 4.2 52.7 1.0
NH2 E:ARG112 4.3 0.1 1.0
CA E:THR287 4.4 56.2 1.0
CE1 E:HIS108 4.6 56.6 1.0
C E:THR287 4.6 58.4 1.0
CA E:HIS111 4.6 47.1 1.0
N E:ARG112 4.6 53.9 1.0
CE1 E:HIS111 4.6 46.9 1.0
C E:HIS111 4.7 53.1 1.0
O E:HOH415 4.7 66.9 1.0
CD E:ARG112 4.7 94.0 1.0
CZ E:ARG112 4.7 0.5 1.0
OG1 E:THR287 4.8 48.4 1.0

Chlorine binding site 10 out of 10 in 6ivk

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Chlorine binding site 10 out of 10 in the Crystal Structure of A Membrane Protein G175A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Membrane Protein G175A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl307

b:64.0
occ:1.00
ZN E:ZN301 2.3 55.2 1.0
NE E:ARG101 3.4 58.3 1.0
ND1 E:HIS111 3.4 50.7 1.0
ND1 E:HIS108 3.4 64.2 1.0
CD E:ARG101 3.5 56.7 1.0
CE1 E:HIS108 3.5 56.6 1.0
CG E:ARG101 3.6 51.5 1.0
CZ E:ARG101 3.6 56.5 1.0
CL E:CL306 3.8 65.8 1.0
CE1 E:HIS111 3.8 46.9 1.0
O E:HOH415 3.8 66.9 1.0
NH2 E:ARG101 3.8 51.2 1.0
CA E:THR287 4.1 56.2 1.0
O E:MET286 4.1 53.5 1.0
O E:THR287 4.3 60.0 1.0
C E:THR287 4.3 58.4 1.0
NH1 E:ARG101 4.4 67.2 1.0
CG E:HIS111 4.6 46.1 1.0
CB E:THR287 4.6 50.8 1.0
CG2 E:THR287 4.7 52.7 1.0
CG E:HIS108 4.8 57.2 1.0
CB E:ARG101 4.9 44.5 1.0
O E:PRO105 4.9 58.9 1.0
NE2 E:HIS108 4.9 62.2 1.0
NE2 E:HIS111 5.0 48.9 1.0

Reference:

C.Ji, A.Kittredge, A.Hopiavuori, N.Ward, S.Chen, Y.Fukuda, Y.Zhang, T.Yang. Dual CA2+-Dependent Gates in Human BESTROPHIN1 Underlie Disease-Causing Mechanisms of Gain-of-Function Mutations. Commun Biol V. 2 240 2019.
ISSN: ESSN 2399-3642
PubMed: 31263784
DOI: 10.1038/S42003-019-0433-3
Page generated: Sat Dec 12 13:10:37 2020

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